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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50084655'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin K


(Homo sapiens (Human))
BDBM50084655
PNG
(CHEMBL92708 | Calpeptin | Z-Leu-Nle-CHO | [(S)-1-(...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O |r|
Show InChI InChI=1S/C20H30N2O4/c1-4-5-11-17(13-23)21-19(24)18(12-15(2)3)22-20(25)26-14-16-9-7-6-8-10-16/h6-10,13,15,17-18H,4-5,11-12,14H2,1-3H3,(H,21,24)(H,22,25)/t17-,18-/m0/s1
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MCE
KEGG
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PubMed
n/an/a 0.110n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against human cathepsin K


Bioorg Med Chem Lett 14: 719-22 (2004)


BindingDB Entry DOI: 10.7270/Q2QV3KX1
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50084655
PNG
(CHEMBL92708 | Calpeptin | Z-Leu-Nle-CHO | [(S)-1-(...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O |r|
Show InChI InChI=1S/C20H30N2O4/c1-4-5-11-17(13-23)21-19(24)18(12-15(2)3)22-20(25)26-14-16-9-7-6-8-10-16/h6-10,13,15,17-18H,4-5,11-12,14H2,1-3H3,(H,21,24)(H,22,25)/t17-,18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 0.110n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibiory activity against recombinant human cathepsin K


Bioorg Med Chem Lett 14: 275-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86PN
More data for this
Ligand-Target Pair